相关论文: Control of Impurity Phase Segregation in a PdCrO$_…
We have investigated a set of sodium cobaltates (NaxCoO2) samples with various sodium content (0.67 \le x \le 0.75) using Nuclear Quadrupole Resonance (NQR). The four different stable phases and an intermediate one have been recognized. The…
Copper-based catalysts are of particular interest for electrochemical reduction of CO$_2$ (CO2RR) as products beyond CO can form. To improve activity and selectivity, several studies have focused on the addition of other elements as…
Combining high-resolution core-level spectroscopy (HRCLS), scanning tunneling microscopy (STM) and density-functional theory (DFT) calculations we reanalyze the Pd(100)-(SQRT(5) x SQRT(5) R27^o)-O surface oxide phase. We find that the…
We present a new technique which allows the fully {\em ab initio} calculation of the chemical potential of a substitutional impurity in a high-temperature crystal, including harmonic and anharmonic lattice vibrations. The technique uses the…
The ordered structure of binary alloy nanoparticles determines their magnetic and catalytic characteristics. In the alloys after annealing, one of the components preferentially segregates on the surface to reduce surface energy. This…
The influence of the nature of the boron precursor on the superconducting properties of polycrystalline MgB2 was studied. Critical current densities for the MgB2 made from high purity amorphous boron are at least a factor of three higher…
Dewetting of a binary alloy thin film is studied using a continuum many-parameter model that accounts for the surface and bulk diffusion, the bulk phase separation, the surface segregation and the particles formation. Analytical solution is…
Tailoring the chemical composition of a high entropy oxide (HEO) is a powerful approach to enhancing desirable material properties. However, the targeted synthesis of HEO materials is often hindered by competing stabilizing and…
(Ba0.6Sr0.4)(Zr0.3Ti0.7)O3 thin films were grown on IrO2 and Pt coated Si substrates. Film on Pt electrode showed large dielectric dispersion at lower frequency and on other hand film on IrO2 showed dielectric constant almost independent…
Here we report a combined study of low-temperature scanning tunneling microscopy (STM) and dynamical mean-field theory (DMFT) on PdCrO$_2$, a delafossite metal with an antiferromagnetic order below ~37.5 K. First, on the CrO$_2$-terminated…
The physical and chemical conditions in photodissociation regions (PDRs) are largely determined by the influence of far ultraviolet radiation. Far-UV photons can efficiently dissociate molecular hydrogen, a process that must be balanced at…
The observation of hydrodynamic transport in the metallic delafossite PdCoO$_2$ has increased interest in this family of highly conductive oxides, but experimental studies so far have mostly been confined to bulk crystals. In this work, the…
The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…
Grain boundary-based mechanisms are known to control the plastic deformation and failure of nanocrystalline metals, with manipulation of the boundary structure a promising path for tuning this response. In this study, the role of…
The electromagnetic properties of type-II superconductors depend on vortices -- magnetic flux lines whose motion introduces dissipation that can be mitigated by pinning from material defects. The material disorder landscape is tuned by the…
Solvent-mediated solid-solid phase transformations often result in the formation of a porous medium, which may be stable on long time scales or undergo ripening and consolidation. We have studied replace- ment processes in the KBr-KCl-H2O…
Although their crystal structures are complex, all high temperature superconductors contain some crystal planes consisting of only Cu and O atoms in a square lattice. Superconductivity is believed to originate from strongly interacting…
Starless molecular cores are natural laboratories for interstellar molecular chemistry research. The chemistry of ices in such objects was investigated with a three-phase (gas, surface, and mantle) model. We considered the center part of…
The kinetics of the orientation of Disperse Orange 3 molecules embedded in amorphous and nanostructured Polymethylmethacrylate films was studied under the effect of an intense electrostatic poling field. Non-centrosymmetric chromophore…
Using a combination of density functional theory calculations and statistical mechanics, we show that a wide range of intermediate compositions of ceria - zirconia solid solutions are thermodynamically metastable with respect to phase…